#------------------------------------------------------------------------------ #$Date: 2020-04-20 23:34:59 +0300 (Mon, 20 Apr 2020) $ #$Revision: 250944 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/78/1557822.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1557822 loop_ _publ_author_name 'Yang, Wei-Qun' 'Shao, Xue-Hua' 'Deng, Fang' 'Hu, Li-Jun' 'Xiong, Yu' 'Huang, Xiao-Jun' 'Fan, Chun-Lin' 'Jiang, Ren-Wang' 'Ye, Wen-Cai' 'Wang, Ying' _publ_section_title ; Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects ; _journal_name_full 'Journal of Natural Products' _journal_paper_doi 10.1021/acs.jnatprod.0c00244 _journal_year 2020 _chemical_absolute_configuration ad _chemical_formula_moiety 'C28 H36 O8, H2 O' _chemical_formula_sum 'C28 H38 O9' _chemical_formula_weight 518.58 _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _atom_sites_solution_hydrogens mixed _audit_creation_date 2020-01-17 _audit_creation_method ; Olex2 1.3-alpha (compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003) ; _cell_angle_alpha 90 _cell_angle_beta 102.6408(17) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 11.2781(2) _cell_length_b 9.82934(16) _cell_length_c 11.8906(2) _cell_measurement_reflns_used 8707 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 73.4360 _cell_measurement_theta_min 4.0000 _cell_volume 1286.20(4) _computing_cell_refinement 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 1.3-alpha (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3-alpha (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'ShelXS (Sheldrick, 2008)' _diffrn_ambient_temperature 100.00(10) _diffrn_detector_area_resol_mean 5.2684 _diffrn_detector_type AtlasS2 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -116.00 -17.00 1.00 1.00 -- -41.11 -37.00-180.00 99 2 \w -116.00 -17.00 1.00 1.00 -- -41.11 -37.00 -90.00 99 3 \w -74.00 35.00 1.00 1.00 -- -41.11 77.00-180.00 109 4 \w 17.00 116.00 1.00 1.00 -- 41.11 37.00 -30.00 99 5 \w 13.00 113.00 1.00 1.00 -- 41.11 57.00 60.00 100 6 \w 23.00 97.00 1.00 1.00 -- 41.11-125.00 0.00 74 7 \w 81.00 178.00 1.00 5.63 -- 106.95 45.00 -90.00 97 8 \w 74.00 178.00 1.00 5.63 -- 106.95 77.00-180.00 104 9 \w 74.00 178.00 1.00 5.63 -- 106.95 77.00 -90.00 104 10 \w 94.00 178.00 1.00 5.63 -- 106.95 125.00 120.00 84 11 \w 94.00 178.00 1.00 5.63 -- 106.95 125.00 60.00 84 12 \w 78.00 178.00 1.00 5.63 -- 106.95 61.00-150.00 100 13 \w 79.00 178.00 1.00 5.63 -- 106.95 30.00-120.00 99 14 \w 74.00 178.00 1.00 5.63 -- 106.95 77.00-120.00 104 15 \w 78.00 178.00 1.00 5.63 -- 106.95 61.00-120.00 100 16 \w 24.00 109.00 1.00 5.63 -- 106.95 -94.00 60.00 85 17 \w 78.00 178.00 1.00 5.63 -- 106.95 61.00 -90.00 100 18 \w 78.00 153.00 1.00 5.63 -- 106.95 61.00 -60.00 75 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, AtlasS2' _diffrn_measurement_method '\w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0448 _diffrn_reflns_av_unetI/netI 0.0486 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_number 11862 _diffrn_reflns_point_group_measured_fraction_full 0.972 _diffrn_reflns_point_group_measured_fraction_max 0.972 _diffrn_reflns_theta_full 63.983 _diffrn_reflns_theta_max 63.983 _diffrn_reflns_theta_min 3.810 _exptl_absorpt_coefficient_mu 0.821 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.65244 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.339 _exptl_crystal_description block _exptl_crystal_F_000 556 _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.08 _refine_diff_density_max 0.262 _refine_diff_density_min -0.265 _refine_diff_density_rms 0.050 _refine_ls_abs_structure_details ; Flack x determined using 1696 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.09(12) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.065 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 347 _refine_ls_number_reflns 4142 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.064 _refine_ls_R_factor_all 0.0469 _refine_ls_R_factor_gt 0.0418 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0609P)^2^+0.3000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1017 _refine_ls_wR_factor_ref 0.1038 _reflns_Friedel_coverage 0.830 _reflns_Friedel_fraction_full 0.943 _reflns_Friedel_fraction_max 0.943 _reflns_number_gt 3996 _reflns_number_total 4142 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file np0c00244_si_003.cif _cod_data_source_block p20-9-el9 _cod_original_cell_volume 1286.19(4) _cod_database_code 1557822 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups, All O(H,H) groups 2.a Ternary CH refined with riding coordinates: C5(H5), C7(H7), C9(H9), C11(H11), C17(H17), C20(H20) 2.b Secondary CH2 refined with riding coordinates: C6(H6A,H6B), C12(H12A,H12B), C21(H21A,H21B), C22(H22A,H22B) 2.c Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C15(H15) 2.d Idealised Me refined as rotating group: C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C28(H28A,H28B,H28C), C29(H29A,H29B, H29C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C) 2.e Idealised tetrahedral OH refined as rotating group: O8(H8) ; _shelx_res_file ; TITL p20-9-el9_a.res in P2(1) p20-9-el9.res created by SHELXL-2018/3 at 15:12:48 on 17-Jan-2020 REM Old TITL P20-9-el9 in P21 #4 REM SHELXT solution in P2(1) REM R1 0.091, Rweak 0.028, Alpha 0.002, Orientation as input REM Flack x = -9.990 ( 0.370 ) from Parsons' quotients REM Formula found by SHELXT: C28 N O8 CELL 1.54184 11.278076 9.829342 11.890555 90 102.6408 90 ZERR 2 0.000198 0.000158 0.000202 0 0.0017 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC C H O UNIT 56 76 18 L.S. 20 PLAN 20 CONF BOND $H LIST 6 MORE -1 fmap 2 53 acta OMIT -3 128 OMIT -10 -5 5 OMIT -6 -9 7 OMIT -10 -5 6 OMIT -10 -5 7 OMIT -10 -5 8 REM REM REM WGHT 0.060900 0.300000 FVAR 1.17961 C1 1 0.344858 0.362146 0.706846 11.00000 0.01395 0.01573 = 0.01856 0.00010 0.00648 0.00175 C2 1 0.424886 0.337362 0.820894 11.00000 0.02286 0.02209 = 0.02066 0.00796 0.00466 -0.00011 AFIX 43 H2 2 0.409222 0.261944 0.862591 11.00000 -1.20000 AFIX 0 C3 1 0.517771 0.416539 0.867175 11.00000 0.02359 0.03044 = 0.01493 0.00433 0.00114 0.00211 AFIX 43 H3 2 0.559691 0.396998 0.941840 11.00000 -1.20000 AFIX 0 C4 1 0.560106 0.535980 0.807174 11.00000 0.01731 0.01985 = 0.01764 -0.00111 0.00054 0.00195 C5 1 0.495663 0.535085 0.677910 11.00000 0.01272 0.01192 = 0.01697 -0.00317 0.00245 0.00136 AFIX 13 H5 2 0.532994 0.459599 0.644364 11.00000 -1.20000 AFIX 0 C6 1 0.524140 0.661942 0.613749 11.00000 0.01006 0.00975 = 0.02121 -0.00275 0.00206 -0.00060 AFIX 23 H6A 2 0.487863 0.740698 0.642122 11.00000 -1.20000 H6B 2 0.611418 0.675608 0.630253 11.00000 -1.20000 AFIX 0 C7 1 0.477452 0.651823 0.484344 11.00000 0.01288 0.00668 = 0.02199 0.00035 0.00574 0.00019 AFIX 13 H7 2 0.490195 0.739954 0.450300 11.00000 -1.20000 AFIX 0 C8 1 0.341917 0.617867 0.450160 11.00000 0.01118 0.01146 = 0.01527 0.00133 0.00227 0.00107 C9 1 0.313481 0.490673 0.517423 11.00000 0.01085 0.00923 = 0.01505 -0.00061 0.00217 0.00139 AFIX 13 H9 2 0.363763 0.418262 0.495546 11.00000 -1.20000 AFIX 0 C10 1 0.356463 0.501488 0.651056 11.00000 0.01268 0.01288 = 0.01552 0.00053 0.00308 0.00153 C11 1 0.180516 0.442269 0.470474 11.00000 0.01245 0.00750 = 0.01892 -0.00221 0.00442 0.00042 AFIX 13 H11 2 0.137315 0.444715 0.533550 11.00000 -1.20000 AFIX 0 C12 1 0.106303 0.520805 0.368211 11.00000 0.01260 0.00875 = 0.02034 -0.00043 0.00287 -0.00255 AFIX 23 H12A 2 0.080204 0.605883 0.396337 11.00000 -1.20000 H12B 2 0.033890 0.468612 0.335803 11.00000 -1.20000 AFIX 0 C13 1 0.173288 0.553090 0.270454 11.00000 0.01414 0.01237 = 0.01654 -0.00115 0.00074 -0.00135 C14 1 0.308364 0.576129 0.324576 11.00000 0.01513 0.00666 = 0.01543 0.00370 0.00254 -0.00025 C15 1 0.396854 0.546077 0.268957 11.00000 0.01947 0.01225 = 0.01522 0.00226 0.00353 0.00336 AFIX 43 H15 2 0.377349 0.539780 0.188986 11.00000 -1.20000 AFIX 0 C16 1 0.523344 0.522832 0.330150 11.00000 0.01836 0.00636 = 0.02041 0.00205 0.00703 -0.00203 C17 1 0.118322 0.685146 0.208871 11.00000 0.01495 0.01360 = 0.01594 0.00044 0.00252 -0.00146 AFIX 13 H17 2 0.140402 0.761464 0.262393 11.00000 -1.20000 AFIX 0 C18 1 0.155149 0.433539 0.184835 11.00000 0.01911 0.01459 = 0.01950 -0.00261 0.00118 -0.00155 AFIX 137 H18A 2 0.192993 0.353471 0.222869 11.00000 -1.50000 H18B 2 0.191307 0.455388 0.121120 11.00000 -1.50000 H18C 2 0.069831 0.417175 0.157102 11.00000 -1.50000 AFIX 0 C19 1 0.278803 0.600800 0.706000 11.00000 0.01581 0.01705 = 0.01751 -0.00035 0.00473 0.00033 AFIX 137 H19A 2 0.195669 0.596268 0.664567 11.00000 -1.50000 H19B 2 0.308645 0.691824 0.702513 11.00000 -1.50000 H19C 2 0.283944 0.575884 0.784986 11.00000 -1.50000 AFIX 0 C20 1 -0.020922 0.687361 0.162314 11.00000 0.01552 0.01827 = 0.02005 0.00469 -0.00038 -0.00200 AFIX 13 H20 2 -0.059227 0.612539 0.195720 11.00000 -1.20000 AFIX 0 C21 1 -0.073507 0.822713 0.188677 11.00000 0.01743 0.02941 = 0.02565 0.00712 0.00416 0.00763 AFIX 23 H21A 2 -0.159748 0.825996 0.154137 11.00000 -1.20000 H21B 2 -0.062848 0.834059 0.271323 11.00000 -1.20000 AFIX 0 C22 1 -0.033896 0.665226 0.032961 11.00000 0.02138 0.01937 = 0.02102 0.00187 -0.00268 -0.00291 AFIX 23 H22A 2 -0.058247 0.572404 0.011804 11.00000 -1.20000 H22B 2 -0.093850 0.726780 -0.010898 11.00000 -1.20000 AFIX 0 C23 1 0.089147 0.693943 0.011291 11.00000 0.03065 0.01167 = 0.01812 0.00069 0.00413 0.00189 C28 1 0.698454 0.516089 0.817785 11.00000 0.01547 0.02325 = 0.02073 -0.00191 -0.00313 -0.00012 AFIX 137 H28A 2 0.711970 0.437560 0.774246 11.00000 -1.50000 H28B 2 0.737506 0.503326 0.897310 11.00000 -1.50000 H28C 2 0.731572 0.595063 0.788369 11.00000 -1.50000 AFIX 0 C29 1 0.544911 0.667116 0.873924 11.00000 0.02537 0.02956 = 0.02092 -0.00826 -0.00098 0.00247 AFIX 137 H29A 2 0.575120 0.743297 0.838114 11.00000 -1.50000 H29B 2 0.589724 0.658822 0.952155 11.00000 -1.50000 H29C 2 0.460433 0.680825 0.873039 11.00000 -1.50000 AFIX 0 C30 1 0.278613 0.753281 0.470406 11.00000 0.01317 0.00961 = 0.01666 0.00053 0.00081 0.00086 AFIX 137 H30A 2 0.317602 0.790569 0.543814 11.00000 -1.50000 H30B 2 0.194579 0.736131 0.469355 11.00000 -1.50000 H30C 2 0.284546 0.816801 0.410556 11.00000 -1.50000 AFIX 0 C31 1 0.101443 0.216858 0.454906 11.00000 0.01486 0.01192 = 0.01774 0.00256 0.00218 0.00035 C32 1 0.129584 0.071726 0.433608 11.00000 0.01745 0.01056 = 0.04056 -0.00059 0.00934 -0.00325 AFIX 137 H32A 2 0.124709 0.058271 0.352757 11.00000 -1.50000 H32B 2 0.072017 0.013511 0.458589 11.00000 -1.50000 H32C 2 0.210097 0.050204 0.475802 11.00000 -1.50000 AFIX 0 O1 3 0.271419 0.276738 0.664651 11.00000 0.02407 0.01742 = 0.02174 0.00371 0.00218 -0.00357 H1WA 2 0.712540 0.462247 0.176596 11.00000 -1.50000 H1WB 2 0.790018 0.365094 0.119462 11.00000 -1.50000 O2 3 0.553009 0.551712 0.443616 11.00000 0.01178 0.01132 = 0.01999 0.00111 0.00444 0.00228 O3 3 0.596840 0.464668 0.286446 11.00000 0.01933 0.01441 = 0.02619 -0.00016 0.01256 0.00364 O4 3 0.189085 0.300474 0.434882 11.00000 0.01298 0.00727 = 0.01846 -0.00035 0.00459 -0.00208 O5 3 0.012261 0.255841 0.486267 11.00000 0.01346 0.01339 = 0.03776 0.00236 0.00957 -0.00165 O6 3 0.171924 0.708132 0.109798 11.00000 0.01859 0.01674 = 0.01741 0.00293 0.00349 -0.00092 O7 3 0.117518 0.701120 -0.081401 11.00000 0.03418 0.02997 = 0.02020 0.00198 0.00660 -0.00487 O8 3 -0.011801 0.928103 0.142742 11.00000 0.03396 0.01886 = 0.03584 0.00610 0.01219 0.00923 AFIX 147 H8 2 -0.044648 1.001234 0.149230 11.00000 -1.50000 AFIX 0 O1W 3 0.758009 0.452256 0.125184 11.00000 0.05043 0.03635 = 0.04362 0.00045 0.02921 -0.00150 HKLF 4 REM p20-9-el9_a.res in P2(1) REM wR2 = 0.1038, GooF = S = 1.065, Restrained GooF = 1.064 for all data REM R1 = 0.0418 for 3996 Fo > 4sig(Fo) and 0.0469 for all 4142 data REM 347 parameters refined using 1 restraints END WGHT 0.0609 0.3000 REM Highest difference peak 0.262, deepest hole -0.265, 1-sigma level 0.050 Q1 1 0.1780 0.7675 -0.0756 11.00000 0.05 0.26 Q2 1 0.3817 0.4938 0.1912 11.00000 0.05 0.25 Q3 1 0.5203 0.5404 0.7387 11.00000 0.05 0.23 Q4 1 0.3207 0.6042 0.3827 11.00000 0.05 0.22 Q5 1 0.3322 0.4951 0.5824 11.00000 0.05 0.21 Q6 1 0.3628 0.5036 0.3129 11.00000 0.05 0.21 Q7 1 0.0050 0.6050 0.0016 11.00000 0.05 0.20 Q8 1 -0.1894 0.7777 0.0777 11.00000 0.05 0.19 Q9 1 0.3401 0.6210 0.2865 11.00000 0.05 0.18 Q10 1 0.8156 0.4394 0.1866 11.00000 0.05 0.18 Q11 1 0.5122 0.6085 0.6454 11.00000 0.05 0.17 Q12 1 0.3953 0.3465 0.7588 11.00000 0.05 0.17 Q13 1 -0.0239 0.1981 0.5060 11.00000 0.05 0.17 Q14 1 0.4970 0.4789 0.4398 11.00000 0.05 0.17 Q15 1 0.2199 0.6498 0.6479 11.00000 0.05 0.17 Q16 1 0.2372 0.7696 0.1241 11.00000 0.05 0.16 Q17 1 0.6619 0.3955 0.2808 11.00000 0.05 0.16 Q18 1 0.2411 0.6427 0.1140 11.00000 0.05 0.16 Q19 1 0.0272 0.8725 0.0804 11.00000 0.05 0.15 Q20 1 0.2174 0.3583 0.3986 11.00000 0.05 0.15 ; _shelx_res_checksum 85513 _shelx_hkl_file ; 0 -11 0 -0.84 2.20 0 -11 -1 64.80 6.81 0 -11 1 89.75 8.49 0 -11 2 28.96 5.03 0 -11 3 71.93 7.52 0 -11 4 34.02 5.27 0 -11 5 76.50 7.01 0 -10 0 131.10 11.63 0 -10 -1 173.25 13.11 0 -10 1 195.21 14.48 0 -10 2 27.40 5.77 0 -10 -2 18.02 3.82 0 -10 3 339.24 19.86 0 -10 4 307.85 18.38 0 -10 4 291.48 18.07 0 -10 5 136.68 11.63 0 -10 5 143.58 11.88 0 -10 6 36.63 5.94 0 -10 6 35.08 6.02 0 -10 7 20.64 4.35 0 -9 0 -2.03 2.26 0 -9 1 202.71 15.60 0 -9 -1 205.68 15.43 0 -9 -2 606.70 28.32 0 -9 2 680.69 30.66 0 -9 3 157.02 14.54 0 -9 3 165.38 13.76 0 -9 4 119.44 11.73 0 -9 4 118.05 12.43 0 -9 5 708.00 32.70 0 -9 5 711.91 31.53 0 -9 6 204.72 15.81 0 -9 6 185.85 14.34 0 -9 7 259.65 16.68 0 -9 7 256.60 17.04 0 -9 8 44.61 7.07 0 -9 9 97.26 8.38 0 -8 0 1361.86 47.93 0 -8 0 1111.25 85.18 0 -8 -1 641.90 30.10 0 -8 1 712.48 31.07 0 -8 2 84.68 10.16 0 -8 -2 57.84 8.19 0 -8 2 76.45 23.61 0 -8 3 190.06 16.21 0 -8 3 184.83 14.75 0 -8 4 189.86 16.14 0 -8 4 178.99 14.71 0 -8 5 293.40 19.11 0 -8 5 268.46 19.66 0 -8 6 255.41 17.89 0 -8 6 248.63 18.61 0 -8 7 637.81 31.21 0 -8 7 660.29 30.43 0 -8 8 164.42 14.05 0 -8 9 52.22 7.39 0 -8 10 98.15 8.86 0 -7 0 -4.34 4.71 0 -7 0 -1.04 2.54 0 -7 1 227.45 34.57 0 -7 1 236.88 16.00 0 -7 -1 245.03 34.30 0 -7 2 6.03 6.47 0 -7 2 2.96 2.92 0 -7 2 2.60 2.12 0 -7 3 222.46 16.91 0 -7 3 245.28 16.48 0 -7 3 237.31 37.97 0 -7 4 87.60 9.76 0 -7 4 103.24 11.27 0 -7 4 90.58 24.81 0 -7 5 32.90 6.01 0 -7 5 14.95 11.33 0 -7 5 23.77 5.46 0 -7 6 217.57 17.52 0 -7 6 228.88 16.90 0 -7 7 19.84 4.66 0 -7 7 22.75 5.54 0 -7 8 49.19 8.41 0 -7 8 64.86 9.35 0 -7 9 60.99 8.70 0 -7 10 109.50 10.40 0 -7 11 77.25 7.90 0 -6 0 363.79 39.22 0 -6 -1 842.18 59.11 0 -6 1 824.92 61.95 0 -6 2 286.05 36.52 0 -6 -2 267.81 30.94 0 -6 3 371.61 43.00 0 -6 4 81.55 21.35 0 -6 5 606.20 29.35 0 -6 5 597.60 59.90 0 -6 5 573.07 27.22 0 -6 6 73.85 22.34 0 -6 6 80.08 9.93 0 -6 6 72.31 9.05 0 -6 7 249.48 18.39 0 -6 7 235.78 40.54 0 -6 7 255.94 17.90 0 -6 8 23.00 5.32 0 -6 8 27.05 6.19 0 -6 9 123.65 12.65 0 -6 10 118.13 11.07 0 -6 10 153.11 13.01 0 -6 11 175.14 12.86 0 -6 12 20.44 3.61 0 -5 0 -0.73 3.65 0 -5 1 99.61 18.71 0 -5 -1 99.71 18.03 0 -5 -2 671.96 45.65 0 -5 2 661.26 51.15 0 -5 3 155.72 24.94 0 -5 -4 528.28 51.40 0 -5 4 485.76 47.38 0 -5 -5 127.68 26.92 0 -5 5 120.58 24.40 0 -5 6 195.66 15.33 0 -5 -6 194.89 35.60 0 -5 6 190.16 32.91 0 -5 7 1060.21 41.05 0 -5 7 1166.54 44.20 0 -5 7 1052.30 42.37 0 -5 7 1038.14 80.28 0 -5 -7 1103.83 92.97 0 -5 8 499.71 27.34 0 -5 8 524.29 27.75 0 -5 9 302.10 20.54 0 -5 9 306.48 20.49 0 -5 10 389.96 22.87 0 -5 10 413.89 23.35 0 -5 11 241.17 16.34 0 -5 11 253.49 16.62 0 -5 12 13.89 3.56 0 -5 12 10.94 3.05 0 -4 0 5030.82 150.39 0 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2861.55 103.94 0 0 6 3874.24 125.11 0 0 -6 3842.08 139.30 0 0 -7 606.74 51.31 0 0 -8 403.13 46.63 0 0 9 192.70 15.08 0 0 9 161.07 12.96 0 0 -9 211.61 36.05 0 0 10 -0.97 2.93 0 0 10 2.49 2.12 0 0 11 451.75 25.10 0 0 11 438.82 23.07 0 0 12 152.25 13.59 0 0 12 106.46 10.19 0 0 12 141.35 12.99 0 0 13 120.01 11.01 0 0 13 139.11 11.58 0 0 14 27.47 4.87 0 0 14 18.80 3.78 0 1 0 -0.97 1.24 0 1 -1 2069.25 55.47 0 1 1 2290.33 62.26 0 1 2 1975.88 62.46 0 1 -2 1829.31 52.03 0 1 3 936.78 40.91 0 1 4 74.97 11.46 0 1 -4 56.94 10.91 0 1 5 2313.76 86.29 0 1 -5 2338.07 92.11 0 1 -6 489.54 41.06 0 1 6 515.27 37.93 0 1 7 523.18 41.34 0 1 -7 457.51 45.16 0 1 -8 1.94 5.19 0 1 9 167.50 13.15 0 1 9 208.48 14.82 0 1 -9 206.70 35.98 0 1 9 224.31 16.42 0 1 10 43.87 7.53 0 1 10 45.33 7.23 0 1 11 24.17 4.85 0 1 11 34.25 6.80 0 1 12 163.42 13.89 0 1 12 143.62 12.01 0 1 13 82.00 9.43 0 1 13 82.67 7.92 0 1 13 97.64 9.54 0 1 14 36.51 5.19 0 1 14 22.14 3.83 0 2 0 5869.98 150.19 0 2 -1 1349.77 48.59 0 2 1 1330.45 47.94 0 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8 181.87 30.27 0 3 8 195.31 14.68 0 3 8 167.39 13.08 0 3 8 175.44 13.84 0 3 8 147.57 11.68 0 3 9 248.72 17.65 0 3 -9 246.85 42.96 0 3 9 226.90 16.45 0 3 9 208.85 14.43 0 3 9 236.61 16.40 0 3 10 242.24 18.02 0 3 10 242.37 16.89 0 3 10 226.00 16.63 0 3 11 250.73 17.86 0 3 11 239.82 16.91 0 3 11 234.31 16.15 0 3 12 14.77 4.32 0 3 12 15.36 4.33 0 3 12 11.26 3.51 0 3 13 217.94 12.88 0 3 13 193.68 12.97 0 4 0 5172.68 155.57 0 4 0 4684.66 145.59 0 4 1 8412.82 230.27 0 4 -1 8823.58 233.84 0 4 -1 8231.18 230.25 0 4 2 1728.51 74.74 0 4 -2 1619.74 73.50 0 4 -2 1727.65 70.42 0 4 3 2141.92 93.16 0 4 -3 2136.70 79.90 0 4 -3 1989.23 89.36 0 4 3 2273.28 94.73 0 4 4 663.57 49.57 0 4 4 651.74 49.10 0 4 -5 984.88 66.34 0 4 5 883.87 61.19 0 4 6 405.95 43.00 0 4 -6 524.93 51.90 0 4 7 330.95 18.34 0 4 7 387.37 21.28 0 4 7 388.54 20.06 0 4 7 373.05 20.27 0 4 7 394.05 44.64 0 4 8 1641.74 52.18 0 4 8 1541.25 97.99 0 4 8 1459.53 49.31 0 4 8 1494.53 52.75 0 4 8 1650.36 54.47 0 4 8 1596.65 52.75 0 4 9 142.89 13.34 0 4 9 145.93 13.01 0 4 9 143.83 12.10 0 4 9 138.45 13.04 0 4 10 112.89 11.25 0 4 10 112.41 11.84 0 4 10 116.07 11.55 0 4 10 103.20 10.05 0 4 11 157.82 12.99 0 4 11 164.78 13.86 0 4 11 191.28 14.43 0 4 11 159.82 11.72 0 4 12 329.97 17.82 0 4 12 311.99 17.05 0 4 12 311.13 17.78 0 4 13 171.56 10.29 0 4 13 196.24 11.60 0 5 0 -0.19 4.78 0 5 0 1.57 4.35 0 5 1 106.33 16.95 0 5 -1 104.95 18.35 0 5 1 114.30 20.78 0 5 -1 88.44 15.92 0 5 -2 628.39 45.73 0 5 -2 722.65 48.12 0 5 2 744.77 49.87 0 5 3 174.39 26.44 0 5 3 161.15 24.25 0 5 -3 140.95 20.14 0 5 -3 130.64 21.36 0 5 4 528.08 47.52 0 5 4 456.95 44.75 0 5 -4 429.88 42.23 0 5 -5 127.90 24.71 0 5 -5 99.43 21.65 0 5 5 98.62 21.25 0 5 -6 172.12 29.01 0 5 6 182.47 30.64 0 5 6 184.86 13.67 0 5 -6 226.49 36.44 0 5 6 186.91 14.56 0 5 7 1165.12 41.89 0 5 -7 1375.34 100.13 0 5 7 1219.31 45.16 0 5 7 1210.06 43.63 0 5 7 1236.21 87.82 0 5 7 1199.41 43.10 0 5 8 524.67 26.33 0 5 -8 511.48 64.46 0 5 8 503.54 26.48 0 5 8 445.86 54.20 0 5 8 558.36 25.32 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74.85 0 8 0 1224.45 88.67 0 8 1 527.91 58.86 0 8 1 580.24 58.77 0 8 2 50.23 17.29 0 8 2 47.61 19.17 0 8 3 142.15 30.74 0 8 3 133.97 30.52 0 8 3 166.31 13.30 0 8 4 180.38 14.10 0 8 5 272.91 18.00 0 8 6 263.78 17.21 0 8 6 220.66 15.86 0 8 6 248.29 16.51 0 8 7 632.80 27.12 0 8 7 614.16 27.45 0 8 8 123.75 10.46 0 8 8 119.31 10.81 0 8 8 138.38 11.40 0 8 8 107.56 9.85 0 8 8 127.43 11.29 0 8 9 40.05 5.97 0 8 9 37.03 4.85 0 8 9 35.86 5.10 0 8 9 49.55 6.30 0 8 9 44.08 6.04 0 8 9 42.56 5.55 0 8 10 65.18 6.19 0 8 10 85.93 7.21 0 8 10 84.01 7.15 0 8 10 73.99 7.05 0 8 10 75.57 6.35 0 9 3 157.12 12.54 0 9 4 107.79 10.44 0 9 5 642.27 28.37 0 9 5 699.85 29.22 0 9 6 175.25 12.96 0 9 6 185.69 13.30 0 9 6 164.92 13.17 0 9 7 266.65 15.08 0 9 7 248.36 15.44 0 9 7 267.06 15.29 0 9 8 54.98 6.62 0 9 8 47.40 6.00 0 9 8 30.69 4.65 0 9 8 46.49 5.59 0 9 8 51.40 5.89 0 9 9 90.71 7.38 0 9 9 71.73 5.66 0 9 9 90.88 6.81 0 9 9 64.64 5.80 0 9 9 92.39 7.27 0 10 1 168.23 11.95 0 10 2 21.78 4.54 0 10 3 294.58 17.11 0 10 3 328.61 17.73 0 10 4 325.32 17.16 0 10 4 296.98 17.05 0 10 4 277.05 15.41 0 10 5 139.41 10.66 0 10 5 110.93 9.24 0 10 5 132.01 10.73 0 10 6 28.16 4.90 0 10 6 27.70 4.58 0 10 6 22.97 4.21 0 10 6 26.07 4.66 0 10 7 20.95 3.34 0 10 7 16.43 3.24 0 10 7 25.95 4.41 0 10 7 21.42 3.79 0 10 8 57.50 4.82 0 10 8 67.90 5.84 0 10 8 57.78 5.08 0 10 8 64.88 5.33 0 11 1 68.53 6.42 0 11 2 20.88 3.55 0 11 2 23.46 4.04 0 11 3 69.68 6.37 0 11 3 74.11 6.78 0 11 4 17.12 3.19 0 11 4 24.97 3.85 0 11 4 28.60 4.18 0 11 5 75.09 6.17 0 11 5 59.38 5.59 0 11 5 60.17 5.65 0 11 5 54.98 5.35 0 11 6 235.73 10.96 0 11 6 229.49 10.68 0 12 1 89.28 6.18 0 12 2 152.49 8.28 1 -12 1 23.60 3.46 -1 -11 5 8.24 3.03 -1 -11 4 40.94 5.72 -1 -11 3 132.85 10.26 -1 -11 2 24.81 4.58 1 -11 -2 21.58 3.82 -1 -11 1 43.65 6.09 1 -11 -1 44.74 5.88 1 -11 0 58.52 7.04 -1 -11 0 67.41 6.87 1 -11 1 155.71 11.68 1 -11 2 3.21 1.93 1 -11 3 29.66 4.98 1 -11 4 171.83 11.29 1 -11 5 78.92 7.02 -1 -10 6 102.83 10.04 -1 -10 5 16.07 4.49 -1 -10 4 128.18 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2 2 11 1.05 2.53 2 2 12 20.45 4.94 2 2 12 18.59 4.23 2 2 13 14.52 3.38 2 2 13 20.50 4.22 -2 3 14 106.52 7.81 -2 3 13 84.37 7.54 -2 3 13 91.99 9.04 -2 3 13 97.22 9.01 -2 3 12 293.84 17.49 -2 3 12 318.83 19.61 -2 3 12 279.61 17.39 -2 3 11 167.93 14.61 -2 3 11 171.86 14.16 -2 3 11 166.46 13.84 -2 3 11 170.87 13.14 -2 3 11 177.80 14.34 -2 3 10 31.31 6.64 -2 3 10 33.90 6.72 -2 3 10 34.06 6.47 -2 3 10 31.02 5.68 -2 3 9 717.35 31.03 -2 3 9 731.78 30.13 2 3 -9 682.80 71.35 -2 3 9 682.50 31.66 -2 3 9 671.73 28.80 -2 3 9 729.93 31.93 -2 3 8 184.79 12.97 -2 3 8 186.55 14.13 -2 3 8 191.45 13.30 2 3 -8 198.44 35.12 -2 3 8 175.10 13.89 -2 3 8 195.52 14.01 2 3 -7 830.53 65.11 -2 3 7 685.14 53.42 -2 3 7 721.56 56.21 -2 3 6 944.93 62.92 -2 3 6 1168.36 73.73 2 3 -6 1148.35 69.83 -2 3 6 1003.91 62.41 -2 3 5 868.30 59.31 2 3 -5 873.15 53.94 -2 3 5 735.53 50.46 -2 3 5 862.22 56.31 -2 3 4 1812.74 84.23 2 3 -4 1833.98 76.15 -2 3 4 1751.77 81.68 -2 3 3 2084.49 86.90 2 3 -3 2134.94 76.49 -2 3 3 2115.60 87.35 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12 12.95 3.89 -2 4 12 17.86 3.97 -2 4 12 18.60 4.29 -2 4 12 20.32 5.08 -2 4 11 82.13 9.86 -2 4 11 86.89 9.79 -2 4 11 88.08 9.09 -2 4 11 91.70 10.17 -2 4 10 220.66 16.50 -2 4 10 228.63 15.45 -2 4 10 232.48 16.98 -2 4 10 227.85 15.69 -2 4 10 204.53 15.98 -2 4 9 500.59 25.68 -2 4 9 467.17 24.01 -2 4 9 536.50 24.84 2 4 -9 481.32 61.29 -2 4 9 513.21 24.93 -2 4 9 499.21 26.00 -2 4 8 811.45 33.52 2 4 -8 836.88 74.83 -2 4 8 847.81 32.99 -2 4 8 699.62 62.05 -2 4 8 836.65 32.33 -2 4 8 742.32 32.34 -2 4 8 826.80 34.48 -2 4 7 685.63 29.56 -2 4 7 723.51 29.44 2 4 -7 864.90 70.18 -2 4 7 770.32 31.79 -2 4 7 780.11 62.14 -2 4 7 710.21 28.66 -2 4 7 766.43 63.66 -2 4 6 257.91 34.75 2 4 -6 225.22 31.17 -2 4 6 248.32 35.68 -2 4 6 271.50 34.29 -2 4 5 66.16 16.93 2 4 -5 62.74 15.50 -2 4 5 57.99 14.57 -2 4 5 71.58 17.91 -2 4 4 619.25 50.08 -2 4 4 610.48 49.11 2 4 -4 614.84 43.48 -2 4 3 3387.55 127.87 -2 4 3 3275.16 127.80 -2 4 2 2819.20 111.07 -2 4 2 2815.35 111.23 2 4 -2 2867.98 96.77 -2 4 1 179.20 23.76 2 4 -1 218.66 23.05 -2 4 1 202.50 24.12 -2 4 0 1552.77 76.80 2 4 0 1451.70 53.61 2 4 0 1575.68 72.57 -2 4 0 1604.71 74.08 -2 4 -1 1058.98 64.31 2 4 1 1188.66 63.75 -2 4 -1 1117.16 60.73 -2 4 -2 626.86 50.00 -2 4 -2 641.04 44.86 2 4 2 637.16 47.61 2 4 3 2592.33 110.49 -2 4 -3 2341.29 112.24 -2 4 -3 2475.27 101.11 -2 4 -4 159.64 22.46 2 4 4 152.44 24.52 -2 4 -4 162.30 27.48 -2 4 -5 74.69 19.89 2 4 5 54.44 15.67 2 4 6 59.50 7.73 2 4 6 59.36 18.94 2 4 6 69.04 8.96 -2 4 -6 70.65 19.26 2 4 7 20.64 9.69 2 4 7 34.35 6.67 2 4 7 30.90 5.86 2 4 7 29.62 6.38 -2 4 -7 42.34 18.69 2 4 8 154.87 12.90 2 4 8 172.59 14.12 2 4 8 148.05 30.34 2 4 8 174.96 14.63 2 4 8 184.63 15.23 2 4 9 280.16 19.47 2 4 9 303.02 19.22 2 4 9 283.82 19.26 2 4 9 288.42 17.58 2 4 10 21.72 5.26 2 4 10 15.94 4.78 2 4 10 12.74 4.71 2 4 11 680.53 28.55 2 4 11 684.13 29.83 2 4 11 621.72 27.53 2 4 12 13.58 3.35 2 4 12 13.55 3.82 2 4 12 10.78 2.64 -2 5 13 172.38 10.27 -2 5 13 188.87 11.08 -2 5 12 10.28 3.06 -2 5 12 11.09 3.30 -2 5 12 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58.17 6.35 7 5 8 59.39 7.02 7 5 8 69.06 7.38 7 5 9 116.09 7.63 7 5 9 129.60 8.88 7 5 9 126.91 8.46 -7 6 11 63.10 6.02 -7 6 11 76.87 7.22 -7 6 11 78.43 7.12 -7 6 11 72.82 7.08 -7 6 10 55.18 6.72 -7 6 10 58.99 6.22 -7 6 10 54.44 6.93 -7 6 10 63.44 7.23 -7 6 10 52.49 7.03 -7 6 9 112.92 10.67 -7 6 9 97.91 8.77 -7 6 9 112.92 10.91 -7 6 9 136.18 11.33 -7 6 9 104.57 10.82 -7 6 9 108.92 9.77 -7 6 8 71.24 9.37 -7 6 8 65.72 8.15 -7 6 8 72.22 9.31 -7 6 8 59.23 7.50 -7 6 8 80.41 9.33 -7 6 8 68.59 9.13 -7 6 7 431.57 24.22 -7 6 7 411.98 22.56 -7 6 7 422.26 22.34 -7 6 7 401.19 22.96 -7 6 7 416.24 22.77 -7 6 7 437.47 24.74 -7 6 6 166.67 14.98 -7 6 6 166.87 12.88 -7 6 6 167.35 14.04 -7 6 6 174.51 14.20 -7 6 6 145.29 13.64 -7 6 6 174.91 14.35 -7 6 6 171.41 15.25 -7 6 5 188.62 16.06 -7 6 5 172.05 13.67 -7 6 5 197.41 15.39 -7 6 5 196.52 14.81 -7 6 5 154.40 13.83 -7 6 5 165.05 13.97 -7 6 5 177.91 15.38 -7 6 4 356.41 22.50 -7 6 4 348.28 21.16 -7 6 4 353.93 20.39 -7 6 4 327.08 20.28 -7 6 4 312.71 19.47 -7 6 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201.26 16.52 -8 5 6 710.71 32.57 -8 5 6 605.56 27.29 -8 5 6 663.39 29.99 -8 5 6 663.47 31.29 -8 5 6 664.94 30.64 -8 5 6 688.95 33.09 -8 5 6 702.61 31.07 -8 5 5 30.38 6.34 -8 5 5 19.24 5.09 -8 5 5 17.04 5.34 -8 5 5 14.65 4.43 -8 5 5 16.83 5.35 -8 5 5 13.81 4.11 -8 5 5 15.32 5.32 -8 5 4 1081.62 43.10 -8 5 4 1019.62 39.06 -8 5 4 1106.88 41.57 -8 5 4 1042.75 40.42 -8 5 4 941.66 38.60 -8 5 4 1005.68 42.24 -8 5 3 143.02 13.90 -8 5 3 144.73 13.06 -8 5 3 152.17 13.06 -8 5 3 157.99 13.67 -8 5 3 129.89 13.05 -8 5 2 17.57 5.42 -8 5 2 19.66 5.08 -8 5 2 15.03 4.32 -8 5 2 18.61 5.31 -8 5 1 593.30 28.15 -8 5 1 580.99 28.09 -8 5 1 578.38 28.08 -8 5 1 579.32 28.85 -8 5 0 134.45 12.72 -8 5 0 133.02 12.30 -8 5 -1 21.06 5.74 -8 5 -2 423.53 23.47 -8 5 -3 178.13 14.41 8 5 3 187.66 15.43 -8 5 -4 399.44 21.58 8 5 4 457.33 24.46 8 5 5 396.97 21.41 8 5 5 355.31 20.72 8 5 6 126.92 10.56 8 5 6 113.12 10.55 8 5 6 123.34 11.14 8 5 7 107.47 8.75 8 5 7 111.29 9.29 8 5 7 119.55 9.74 8 5 8 11.95 2.79 8 5 8 10.05 2.47 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3 3 167.09 13.76 -10 3 3 171.06 14.34 -10 3 3 189.07 15.07 -10 3 3 189.41 15.77 -10 3 2 359.28 20.88 -10 3 2 343.66 21.04 -10 3 2 370.63 21.89 -10 3 2 371.87 22.26 -10 3 1 103.37 11.26 -10 3 1 107.03 11.22 -10 3 1 108.50 11.09 -10 3 1 99.45 11.29 -10 3 0 42.03 7.20 -10 3 0 45.64 7.09 -10 3 0 39.45 6.55 -10 3 0 46.69 7.25 -10 3 -1 5.45 3.01 -10 3 -1 11.94 4.67 -10 3 -2 395.52 22.17 10 3 2 372.14 21.61 -10 3 -3 10.62 3.90 10 3 3 2.50 2.66 10 3 4 95.81 9.23 -10 3 -4 86.39 9.02 10 3 4 98.61 9.73 10 3 5 74.57 6.98 10 3 5 81.33 7.98 10 3 6 295.89 13.91 10 3 6 330.14 15.12 -10 4 11 3.89 1.99 -10 4 11 3.65 1.81 -10 4 10 33.04 4.20 -10 4 10 44.50 5.80 -10 4 10 47.34 5.62 -10 4 10 43.40 5.13 -10 4 9 39.83 5.25 -10 4 9 36.27 5.01 -10 4 9 34.68 5.63 -10 4 9 45.03 6.28 -10 4 9 46.90 6.38 -10 4 8 9.21 3.87 -10 4 8 9.27 3.44 -10 4 8 10.09 3.63 -10 4 8 5.99 3.17 -10 4 8 8.88 3.61 -10 4 8 12.24 4.49 -10 4 7 71.87 8.41 -10 4 7 66.26 8.62 -10 4 7 58.89 7.65 -10 4 7 75.28 8.78 -10 4 7 71.93 8.79 -10 4 6 177.89 12.72 -10 4 6 213.32 15.11 -10 4 6 200.76 15.24 -10 4 6 222.38 15.62 -10 4 6 200.49 14.77 -10 4 6 230.96 16.21 -10 4 5 683.42 29.55 -10 4 5 771.04 32.69 -10 4 5 789.00 32.77 -10 4 5 739.40 32.28 -10 4 5 705.95 31.16 -10 4 5 794.21 33.96 -10 4 4 302.35 18.28 -10 4 4 292.90 19.29 -10 4 4 319.07 19.57 -10 4 4 314.62 20.48 -10 4 3 598.81 27.87 -10 4 3 610.46 29.00 -10 4 3 631.71 29.28 -10 4 3 582.86 29.33 -10 4 2 2.02 3.24 -10 4 2 9.80 4.67 -10 4 2 2.74 3.56 -10 4 2 -0.11 2.48 -10 4 1 450.28 23.69 -10 4 1 430.08 23.15 -10 4 1 430.13 23.43 -10 4 1 413.75 23.35 -10 4 0 397.23 21.92 -10 4 0 341.18 19.78 -10 4 0 353.27 20.26 -10 4 0 353.94 20.85 -10 4 -1 450.15 23.81 -10 4 -2 228.38 15.88 10 4 2 232.05 16.10 -10 4 -3 97.05 9.70 10 4 3 123.99 11.13 10 4 4 121.05 9.89 -10 4 -4 104.61 9.36 10 4 4 117.73 10.31 10 4 5 98.34 8.01 10 4 5 126.09 9.59 10 4 6 112.90 8.04 10 4 6 97.59 7.69 -10 5 10 25.58 3.62 -10 5 10 18.13 3.25 -10 5 10 20.26 3.42 -10 5 9 143.23 9.59 -10 5 9 120.98 8.54 -10 5 9 153.64 10.72 -10 5 9 158.80 10.77 -10 5 9 163.61 10.78 -10 5 8 117.84 9.57 -10 5 8 107.78 9.24 -10 5 8 115.48 10.15 -10 5 8 109.68 9.66 -10 5 8 119.05 10.21 -10 5 7 64.57 7.98 -10 5 7 58.44 7.73 -10 5 7 62.76 7.50 -10 5 7 62.25 7.62 -10 5 7 58.04 7.15 -10 5 6 62.25 7.02 -10 5 6 87.96 9.62 -10 5 6 80.99 8.73 -10 5 6 75.28 8.58 -10 5 6 78.48 8.65 -10 5 6 96.97 10.13 -10 5 5 13.17 4.82 -10 5 5 5.97 3.00 -10 5 5 6.23 2.79 -10 5 5 9.33 3.88 -10 5 4 192.24 14.24 -10 5 4 210.98 15.88 -10 5 4 200.89 14.99 -10 5 4 222.07 16.73 -10 5 3 202.51 14.82 -10 5 3 198.88 15.41 -10 5 3 220.27 16.04 -10 5 3 183.35 15.25 -10 5 2 44.60 7.55 -10 5 2 63.06 9.29 -10 5 2 58.76 8.27 -10 5 2 57.98 8.33 -10 5 1 263.36 17.37 -10 5 1 249.25 16.36 -10 5 1 257.46 16.97 -10 5 1 232.26 16.37 -10 5 0 72.54 9.03 -10 5 0 63.55 7.86 -10 5 -1 86.25 9.62 -10 5 -2 38.33 6.18 10 5 2 33.18 6.35 -10 5 -3 38.24 5.73 10 5 3 37.74 5.79 10 5 4 13.76 3.48 10 5 4 13.77 3.32 10 5 5 66.18 5.89 10 5 5 71.12 6.63 10 5 5 76.71 6.93 -10 6 9 59.31 5.33 -10 6 9 55.77 5.24 -10 6 9 58.59 5.58 -10 6 9 65.28 5.96 -10 6 8 145.08 9.84 -10 6 8 137.52 9.37 -10 6 8 111.55 8.49 -10 6 8 135.44 9.46 -10 6 8 136.83 10.03 -10 6 7 11.33 3.68 -10 6 7 10.71 3.18 -10 6 7 8.10 2.46 -10 6 7 6.93 2.56 -10 6 7 9.05 2.77 -10 6 6 84.55 7.70 -10 6 6 105.52 9.78 -10 6 6 98.27 9.25 -10 6 6 111.40 10.46 -10 6 5 55.86 7.48 -10 6 5 53.03 6.45 -10 6 5 49.15 7.10 -10 6 5 57.40 7.31 -10 6 4 245.89 15.72 -10 6 4 268.86 16.86 -10 6 4 276.69 17.12 -10 6 4 274.45 17.58 -10 6 3 178.41 13.45 -10 6 3 186.72 13.83 -10 6 3 173.28 13.51 -10 6 3 158.77 13.21 -10 6 2 130.75 11.81 -10 6 2 122.96 11.03 -10 6 2 141.59 12.15 -10 6 2 131.84 11.32 -10 6 1 5.21 3.41 -10 6 1 11.40 3.69 -10 6 0 9.20 3.68 -10 6 -1 55.13 7.07 10 6 1 53.01 6.72 -10 6 -2 61.48 7.21 10 6 2 65.49 7.57 10 6 3 8.24 2.75 -10 6 -3 7.75 2.60 10 6 3 5.38 2.06 10 6 3 10.00 2.90 10 6 4 56.65 5.67 10 6 4 63.42 6.10 10 6 4 52.58 5.50 -10 7 8 13.29 2.78 -10 7 8 16.99 2.83 -10 7 7 146.74 9.60 -10 7 7 154.49 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7.99 11 -6 -2 74.23 7.86 11 -5 -9 27.11 4.26 11 -5 -8 56.69 6.86 11 -5 -7 11.93 4.25 11 -5 -6 29.16 6.45 11 -5 -5 147.16 13.48 11 -5 -4 57.44 8.49 11 -5 -3 45.34 7.31 11 -5 -2 19.81 4.90 -11 -4 6 95.79 9.46 -11 -4 5 115.52 10.77 -11 -4 4 133.01 11.83 11 -4 -3 46.03 8.36 -11 -4 3 58.41 7.93 11 -4 -2 40.82 7.33 -11 -4 2 55.26 7.77 -11 -4 1 104.71 10.48 11 -4 3 24.82 4.40 11 -4 4 34.88 4.71 -11 -3 8 119.84 9.56 -11 -3 8 227.33 11.99 -11 -3 7 14.25 3.78 -11 -3 6 112.30 10.31 -11 -3 6 132.34 11.36 -11 -3 5 104.46 10.24 -11 -3 5 130.93 11.82 -11 -3 4 217.85 15.70 -11 -3 4 231.38 16.15 -11 -3 3 57.91 8.15 -11 -3 3 54.79 7.84 -11 -3 2 20.67 5.44 -11 -3 2 19.33 5.09 -11 -3 1 33.45 6.04 -11 -3 0 195.41 14.44 11 -3 1 10.46 4.06 11 -3 2 30.68 5.66 11 -3 3 2.75 2.11 11 -3 4 71.29 7.84 11 -3 5 52.57 5.99 -11 -2 9 4.43 2.63 -11 -2 8 20.17 4.03 -11 -2 8 16.27 4.28 -11 -2 7 386.89 19.78 -11 -2 7 412.33 20.96 -11 -2 6 41.08 6.08 -11 -2 6 41.74 6.56 -11 -2 6 54.15 7.56 -11 -2 6 45.27 7.31 -11 -2 5 40.16 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16.13 4.72 -11 0 3 16.31 5.35 -11 0 3 17.86 4.44 -11 0 3 16.09 4.93 -11 0 2 -1.45 2.54 -11 0 2 2.54 2.55 -11 0 2 4.11 3.62 -11 0 2 1.87 2.39 -11 0 1 12.21 4.61 -11 0 1 14.10 4.40 -11 0 1 16.84 4.76 -11 0 1 12.54 3.69 -11 0 0 420.86 22.50 -11 0 0 386.96 21.99 -11 0 0 378.11 21.11 -11 0 -1 354.25 20.25 -11 0 -1 308.19 18.63 -11 0 -1 292.04 17.58 -11 0 -2 631.86 28.61 11 0 5 1.22 2.28 11 0 6 3.41 2.31 -11 1 11 16.58 2.99 -11 1 11 12.44 2.70 -11 1 10 101.72 8.47 -11 1 10 106.70 8.50 -11 1 9 4.33 2.09 -11 1 9 5.51 2.22 -11 1 9 7.23 2.27 -11 1 9 7.75 2.67 -11 1 9 5.25 2.84 -11 1 8 298.75 16.41 -11 1 8 296.96 16.51 -11 1 8 318.14 17.96 -11 1 8 342.74 18.47 -11 1 8 293.87 16.49 -11 1 7 114.25 10.42 -11 1 7 132.78 11.38 -11 1 7 127.78 11.55 -11 1 7 132.61 11.48 -11 1 7 126.54 10.95 -11 1 6 11.67 3.76 -11 1 6 14.02 4.18 -11 1 6 8.68 3.29 -11 1 6 11.81 4.38 -11 1 6 16.55 4.72 -11 1 5 269.10 16.45 -11 1 5 325.88 19.11 -11 1 5 307.18 18.78 -11 1 5 351.25 20.64 -11 1 5 298.83 18.71 -11 1 5 318.93 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144.93 11.20 -11 3 8 135.87 10.62 -11 3 7 16.45 4.14 -11 3 7 11.94 3.82 -11 3 7 19.00 4.66 -11 3 7 16.32 4.74 -11 3 7 18.50 4.88 -11 3 6 131.84 11.49 -11 3 6 129.93 11.41 -11 3 6 117.90 10.98 -11 3 6 119.46 11.05 -11 3 6 126.53 11.50 -11 3 5 101.94 9.45 -11 3 5 111.81 10.71 -11 3 5 116.93 11.18 -11 3 5 111.05 10.80 -11 3 5 99.15 9.81 -11 3 5 117.18 11.45 -11 3 4 211.06 14.60 -11 3 4 236.65 16.14 -11 3 4 231.47 15.89 -11 3 4 202.49 14.88 -11 3 4 223.63 16.10 -11 3 3 56.74 8.41 -11 3 3 58.66 8.06 -11 3 3 64.16 9.14 -11 3 3 58.65 8.17 -11 3 2 19.45 5.26 -11 3 2 25.55 5.48 -11 3 2 17.54 4.70 -11 3 2 18.68 5.15 -11 3 1 17.12 4.89 -11 3 1 18.67 4.97 -11 3 1 25.64 5.52 -11 3 1 24.52 5.25 -11 3 0 231.47 15.65 -11 3 0 194.09 14.04 -11 3 0 198.78 14.03 -11 3 0 207.85 14.90 -11 3 -1 23.12 5.39 11 3 1 24.67 5.27 -11 3 -2 51.17 6.93 11 3 2 52.86 7.02 -11 3 -3 2.31 2.58 11 3 3 -1.49 2.05 11 3 4 63.43 5.78 -11 3 -4 71.82 6.88 11 3 5 67.64 5.83 11 3 5 69.16 6.44 -11 4 10 115.38 7.56 -11 4 10 113.84 7.51 -11 4 9 393.29 16.44 -11 4 9 441.86 18.47 -11 4 9 443.63 18.25 -11 4 9 446.82 17.81 -11 4 8 7.55 3.13 -11 4 8 6.20 2.65 -11 4 8 6.54 2.59 -11 4 8 5.25 2.57 -11 4 8 3.37 2.15 -11 4 7 98.92 9.07 -11 4 7 87.95 8.77 -11 4 7 99.76 9.39 -11 4 7 85.32 8.55 -11 4 7 90.67 8.92 -11 4 6 97.93 9.43 -11 4 6 110.76 10.05 -11 4 6 95.51 9.42 -11 4 6 95.89 9.11 -11 4 6 105.81 10.24 -11 4 5 94.42 8.98 -11 4 5 115.34 10.74 -11 4 5 129.99 11.06 -11 4 5 114.15 10.19 -11 4 5 118.11 11.33 -11 4 4 120.20 10.74 -11 4 4 136.05 11.93 -11 4 4 151.44 12.54 -11 4 4 122.56 11.60 -11 4 3 59.28 8.10 -11 4 3 60.79 7.73 -11 4 3 68.17 8.27 -11 4 3 64.22 8.57 -11 4 2 45.14 7.24 -11 4 2 55.73 7.63 -11 4 2 48.34 7.06 -11 4 2 43.25 6.64 -11 4 1 116.23 10.94 -11 4 1 91.23 9.34 -11 4 1 101.51 9.99 -11 4 1 101.73 10.27 -11 4 0 76.21 8.80 -11 4 -1 180.98 13.27 11 4 1 163.38 12.61 -11 4 -2 245.65 15.16 11 4 2 241.86 14.94 11 4 3 36.46 4.84 -11 4 -3 30.65 4.92 11 4 3 43.43 5.62 11 4 4 37.09 4.25 11 4 4 52.11 5.62 11 4 5 27.56 3.62 -11 5 9 35.08 4.19 -11 5 8 70.95 6.46 -11 5 8 66.89 6.24 -11 5 8 59.66 5.89 -11 5 8 57.58 5.84 -11 5 8 68.43 6.72 -11 5 7 8.66 2.80 -11 5 7 11.51 3.42 -11 5 7 15.90 3.52 -11 5 7 7.72 2.61 -11 5 7 6.75 2.48 -11 5 6 34.67 5.39 -11 5 6 33.04 5.11 -11 5 5 155.37 11.04 -11 5 5 182.62 12.98 -11 5 5 181.17 12.83 -11 5 5 187.34 13.57 -11 5 4 53.09 7.47 -11 5 4 54.34 6.85 -11 5 4 58.59 7.68 -11 5 3 54.62 7.58 -11 5 3 45.02 6.32 -11 5 3 41.66 6.49 -11 5 3 55.20 7.39 -11 5 2 27.52 5.05 -11 5 2 28.15 5.33 -11 5 2 25.20 4.69 -11 5 2 32.51 5.90 -11 5 1 192.77 13.62 -11 5 1 188.40 12.96 -11 5 0 4.56 2.68 -11 5 -1 134.91 10.81 11 5 1 131.64 10.55 -11 5 -2 56.32 6.51 11 5 2 61.65 6.68 11 5 3 99.82 7.52 -11 5 -3 83.98 6.87 11 5 3 110.08 8.32 11 5 4 46.92 4.60 11 5 4 43.55 4.55 -11 6 8 129.30 8.06 -11 6 7 88.07 7.16 -11 6 7 85.52 6.99 -11 6 7 81.31 7.04 -11 6 6 90.33 7.85 -11 6 6 100.85 8.35 -11 6 6 85.32 7.93 -11 6 5 79.76 7.20 -11 6 5 99.20 8.48 -11 6 5 105.70 9.03 -11 6 5 94.47 8.74 -11 6 4 522.71 22.09 -11 6 4 534.51 22.98 -11 6 4 558.45 23.59 -11 6 4 530.12 22.97 -11 6 3 79.10 8.03 -11 6 3 73.63 7.60 -11 6 3 81.70 8.22 -11 6 3 72.53 7.54 -11 6 2 86.22 8.31 -11 6 2 60.52 6.55 -11 6 2 86.56 8.35 -11 6 1 267.13 14.81 -11 6 1 196.42 11.92 -11 6 0 64.14 7.13 11 6 0 50.05 5.92 -11 6 -1 32.34 5.18 11 6 1 22.72 3.83 11 6 2 109.70 7.70 -11 6 -2 98.56 7.35 11 6 2 121.58 8.23 -11 7 6 18.45 3.09 -11 7 5 100.62 7.37 -11 7 5 112.01 8.05 -11 7 4 0.66 2.06 -11 7 4 2.13 1.34 -11 7 4 4.16 2.49 -11 7 3 13.09 3.07 -11 7 3 15.99 3.35 -11 7 2 27.20 4.25 -11 7 1 121.10 8.67 11 7 -1 94.01 7.23 -11 7 0 62.42 5.84 11 7 0 56.11 5.27 12 -5 -7 14.39 3.25 12 -5 -6 39.24 5.48 12 -5 -5 106.85 9.27 12 -5 -4 245.78 14.14 12 -4 -8 45.51 5.71 12 -4 -7 182.88 12.53 12 -4 -6 235.90 15.30 12 -4 -5 70.80 8.61 12 -4 -4 22.29 5.57 -12 -4 4 19.85 4.39 -12 -3 7 133.29 9.44 -12 -3 6 24.91 4.65 -12 -3 5 21.12 4.17 -12 -3 4 46.22 6.74 -12 -3 3 204.55 13.76 -12 -3 2 90.38 8.99 -12 -3 1 65.45 7.50 -12 -2 8 20.23 3.20 -12 -2 7 7.69 2.66 -12 -2 7 12.56 3.18 -12 -2 6 16.79 3.68 -12 -2 6 17.70 4.22 -12 -2 5 329.22 17.98 -12 -2 5 364.05 19.01 -12 -2 4 215.93 14.38 -12 -2 4 202.27 14.11 -12 -2 3 9.37 3.42 -12 -2 3 5.44 3.95 -12 -2 2 234.99 15.29 -12 -2 2 237.86 15.45 -12 -2 1 24.38 4.35 -12 -2 0 198.43 13.20 12 -2 1 0.96 2.30 12 -2 2 8.32 2.94 12 -2 3 60.79 6.57 -12 -1 9 20.62 3.93 -12 -1 8 7.07 2.61 -12 -1 8 16.92 3.47 -12 -1 8 12.68 3.14 -12 -1 7 134.19 10.12 -12 -1 7 140.50 10.43 -12 -1 7 127.08 10.54 -12 -1 6 43.31 6.01 -12 -1 6 47.16 6.59 -12 -1 6 35.68 5.31 -12 -1 6 41.02 6.27 -12 -1 5 255.36 15.56 -12 -1 5 265.60 15.98 -12 -1 5 237.25 15.72 -12 -1 5 230.09 14.89 -12 -1 4 115.56 10.38 -12 -1 4 125.46 10.70 -12 -1 4 101.39 9.86 -12 -1 3 122.11 10.57 -12 -1 3 124.82 10.91 -12 -1 3 128.49 11.23 -12 -1 2 177.69 12.96 -12 -1 2 171.99 13.18 -12 -1 2 167.39 12.97 -12 -1 1 32.91 5.67 -12 -1 1 37.17 5.88 -12 -1 1 31.74 5.63 -12 -1 0 243.51 15.04 12 -1 2 5.30 3.50 12 -1 3 105.74 9.35 12 -1 4 79.68 7.09 -12 0 10 7.84 2.28 -12 0 9 -1.52 2.02 -12 0 8 48.74 5.46 -12 0 8 59.43 6.10 -12 0 8 66.53 6.99 -12 0 8 50.68 5.57 -12 0 7 127.12 9.78 -12 0 7 131.57 10.15 -12 0 7 130.61 10.43 -12 0 7 112.94 9.26 -12 0 6 2.14 2.46 -12 0 6 3.91 2.90 -12 0 6 -1.06 2.38 -12 0 5 41.24 6.27 -12 0 5 36.97 6.05 -12 0 5 48.38 7.03 -12 0 5 34.99 6.09 -12 0 4 59.55 6.93 -12 0 4 66.07 7.89 -12 0 4 61.02 7.65 -12 0 4 47.87 6.89 -12 0 4 75.90 8.70 -12 0 3 3.72 2.47 -12 0 3 1.76 1.91 -12 0 3 1.70 3.03 -12 0 3 1.19 2.25 -12 0 2 79.53 8.70 -12 0 2 78.15 8.83 -12 0 2 77.46 8.55 -12 0 2 70.92 8.54 -12 0 1 26.69 5.19 -12 0 1 25.77 5.37 -12 0 1 31.35 5.38 -12 0 0 35.72 5.59 -12 0 0 29.46 5.39 -12 0 0 35.26 5.63 -12 0 -1 74.37 8.21 12 0 4 61.78 6.40 -12 1 10 82.13 6.22 -12 1 9 23.61 3.93 -12 1 8 11.03 2.75 -12 1 8 11.52 3.09 -12 1 8 12.90 3.00 -12 1 8 20.29 4.18 -12 1 8 12.13 3.67 -12 1 7 140.64 10.46 -12 1 7 138.55 10.39 -12 1 7 143.85 11.17 -12 1 7 149.34 11.20 -12 1 7 140.16 10.37 -12 1 6 47.23 6.64 -12 1 6 51.26 6.64 -12 1 6 49.15 6.78 -12 1 6 48.72 6.74 -12 1 5 278.66 16.32 -12 1 5 267.07 16.11 -12 1 5 241.70 15.31 -12 1 5 261.76 16.18 -12 1 4 105.85 9.48 -12 1 4 113.74 10.25 -12 1 4 112.28 10.32 -12 1 4 76.66 8.47 -12 1 4 104.23 10.20 -12 1 3 124.92 10.72 -12 1 3 124.92 11.12 -12 1 3 135.80 11.61 -12 1 3 128.89 11.50 -12 1 2 179.86 13.15 -12 1 2 161.39 12.75 -12 1 2 183.48 13.40 -12 1 2 181.32 13.81 -12 1 1 35.47 5.83 -12 1 1 36.65 6.12 -12 1 1 34.71 5.73 -12 1 1 30.84 5.52 -12 1 0 296.12 16.91 -12 1 0 247.69 15.32 -12 1 0 254.27 15.12 -12 1 -1 222.99 14.34 -12 1 -2 17.60 4.14 12 1 4 47.62 5.65 -12 2 9 22.77 3.33 -12 2 9 18.71 3.05 -12 2 9 28.45 4.23 -12 2 9 28.12 4.08 -12 2 8 31.34 4.54 -12 2 8 31.09 4.34 -12 2 8 19.84 3.71 -12 2 8 33.74 5.04 -12 2 8 36.22 4.91 -12 2 7 7.71 2.62 -12 2 7 12.05 3.26 -12 2 7 6.57 2.86 -12 2 7 5.08 2.27 -12 2 7 9.37 2.94 -12 2 6 14.70 4.10 -12 2 6 13.91 4.01 -12 2 6 14.75 3.86 -12 2 6 11.65 4.00 -12 2 6 15.61 3.71 -12 2 5 296.46 15.94 -12 2 5 355.12 18.69 -12 2 5 371.27 18.97 -12 2 5 316.70 17.19 -12 2 5 379.93 19.51 -12 2 4 187.55 12.86 -12 2 4 224.15 14.87 -12 2 4 215.15 14.54 -12 2 4 239.63 15.57 -12 2 3 6.87 3.42 -12 2 3 4.20 2.50 -12 2 3 11.93 3.84 -12 2 3 3.45 3.08 -12 2 2 235.31 14.98 -12 2 2 230.17 15.11 -12 2 2 219.52 14.85 -12 2 2 237.68 15.68 -12 2 1 26.14 5.30 -12 2 1 26.58 5.36 -12 2 1 23.39 4.76 -12 2 1 17.97 4.22 -12 2 0 234.97 14.69 -12 2 0 198.30 12.96 12 2 0 201.21 13.15 -12 2 -1 3.12 3.03 12 2 1 1.07 1.70 -12 2 -2 20.63 4.37 12 2 2 12.64 2.81 12 2 4 9.04 2.87 -12 3 9 19.31 3.21 -12 3 9 19.05 3.22 -12 3 8 68.84 6.22 -12 3 8 63.55 6.00 -12 3 8 70.13 6.66 -12 3 8 66.02 6.36 -12 3 8 68.46 6.44 -12 3 7 139.45 9.81 -12 3 7 156.58 10.51 -12 3 7 137.82 10.08 -12 3 7 130.81 9.59 -12 3 7 146.63 10.43 -12 3 6 33.49 5.40 -12 3 6 23.11 4.44 -12 3 6 31.19 5.21 -12 3 6 35.21 5.30 -12 3 6 20.46 3.84 -12 3 5 23.21 5.07 -12 3 5 19.31 3.76 -12 3 5 25.70 4.88 -12 3 5 26.32 5.05 -12 3 4 50.67 7.00 -12 3 4 43.86 6.08 -12 3 4 58.27 7.25 -12 3 4 50.67 6.94 -12 3 3 205.92 13.62 -12 3 3 203.87 13.89 -12 3 3 207.54 13.90 -12 3 3 220.40 14.72 -12 3 2 100.34 9.31 -12 3 2 98.83 9.59 -12 3 2 89.61 8.93 -12 3 2 87.50 9.15 -12 3 1 60.88 7.53 -12 3 1 64.39 7.32 -12 3 1 62.14 7.22 -12 3 1 64.41 7.45 -12 3 0 15.59 3.95 12 3 0 9.50 3.32 -12 3 -1 84.57 8.13 12 3 1 78.80 7.45 12 3 2 1.56 1.74 -12 3 -2 3.95 2.30 12 3 2 6.34 2.46 12 3 3 54.93 5.10 -12 4 8 51.05 4.98 -12 4 8 46.28 4.61 -12 4 8 51.81 5.24 -12 4 7 204.98 11.74 -12 4 7 215.18 11.92 -12 4 7 223.16 12.48 -12 4 6 305.35 15.56 -12 4 6 305.54 15.41 -12 4 6 297.96 15.79 -12 4 5 62.08 6.22 -12 4 5 81.01 8.08 -12 4 5 93.95 8.48 -12 4 5 81.63 8.03 -12 4 4 19.27 3.95 -12 4 4 26.48 4.51 -12 4 4 23.21 4.45 -12 4 4 24.17 4.64 -12 4 3 142.48 10.59 -12 4 3 147.44 11.05 -12 4 3 144.20 10.93 -12 4 3 137.53 11.04 -12 4 2 19.50 3.99 -12 4 2 16.83 3.95 -12 4 2 20.10 4.05 -12 4 2 23.21 4.96 -12 4 1 125.02 9.35 -12 4 1 123.87 9.71 -12 4 0 12.31 3.16 12 4 0 7.02 2.93 -12 4 -1 45.32 5.81 12 4 1 40.07 5.03 -12 4 -2 241.78 12.24 12 4 2 234.78 11.85 -12 5 7 20.25 3.31 -12 5 7 18.51 3.06 -12 5 7 13.76 2.77 -12 5 6 38.96 4.91 -12 5 6 41.54 5.04 -12 5 6 44.97 5.09 -12 5 5 88.81 6.89 -12 5 5 112.17 8.65 -12 5 5 122.70 8.86 -12 5 5 114.53 8.99 -12 5 4 254.47 13.50 -12 5 4 285.06 14.65 -12 5 4 301.20 15.18 -12 5 4 282.11 14.80 -12 5 3 161.86 10.68 -12 5 3 152.57 10.23 -12 5 3 161.49 10.86 -12 5 3 150.96 10.37 -12 5 2 114.31 8.30 -12 5 2 137.10 9.51 -12 5 2 111.44 8.33 -12 5 1 122.92 9.31 12 5 -1 106.11 8.70 -12 5 0 92.75 7.83 12 5 0 74.29 6.77 -12 5 -1 15.05 3.05 12 5 1 11.27 2.38 -12 6 5 300.38 13.29 -12 6 4 66.94 5.91 -12 6 3 70.63 6.17 -12 6 2 6.36 2.35 12 6 -2 4.12 1.79 -12 6 1 17.60 3.08 12 6 -1 15.07 2.85 -13 -3 5 80.50 6.67 -13 -3 4 15.16 3.28 -13 -2 7 1.95 1.13 -13 -2 6 33.80 4.50 -13 -2 5 6.41 2.39 -13 -2 4 21.54 3.82 -13 -2 3 145.93 10.17 -13 -2 2 56.97 6.20 -13 -1 7 45.92 4.94 -13 -1 6 0.93 1.49 -13 -1 6 0.49 1.67 -13 -1 5 113.71 9.10 -13 -1 5 94.70 8.11 -13 -1 4 27.45 4.59 -13 -1 4 29.84 4.72 -13 -1 3 26.04 4.53 -13 -1 3 33.08 5.00 -13 -1 2 180.87 11.65 -13 -1 1 292.07 14.61 -13 0 7 25.37 3.77 -13 0 7 29.84 4.06 -13 0 6 3.90 2.19 -13 0 6 1.81 2.58 -13 0 5 134.45 9.81 -13 0 5 153.13 10.48 -13 0 4 0.63 2.13 -13 0 4 0.44 2.35 -13 0 3 -1.24 2.02 -13 0 3 0.44 1.77 -13 0 2 179.44 11.76 -13 0 2 166.69 11.24 -13 0 1 116.82 8.85 13 0 1 4.93 2.61 -13 1 7 50.15 5.15 -13 1 7 48.75 5.28 -13 1 7 46.56 5.01 -13 1 6 2.13 2.14 -13 1 6 1.50 1.55 -13 1 6 4.73 2.58 -13 1 5 108.76 8.76 -13 1 5 115.18 8.97 -13 1 5 92.54 8.18 -13 1 4 21.41 4.11 -13 1 4 20.79 3.70 -13 1 4 25.12 4.74 -13 1 4 24.07 4.27 -13 1 3 20.35 3.84 -13 1 3 27.34 4.58 -13 1 3 27.15 4.39 -13 1 2 175.57 11.52 -13 1 2 194.85 12.22 -13 1 2 175.32 11.48 -13 1 1 283.80 14.73 -13 1 1 269.93 14.06 -13 1 0 101.19 8.28 -13 2 7 3.71 1.77 -13 2 7 4.67 1.92 -13 2 7 2.06 1.67 -13 2 6 36.20 4.84 -13 2 6 41.89 5.02 -13 2 6 33.36 4.54 -13 2 5 3.43 1.92 -13 2 5 6.64 2.59 -13 2 5 3.79 2.19 -13 2 4 22.12 4.26 -13 2 4 16.85 3.39 -13 2 4 23.91 4.11 -13 2 4 26.88 4.64 -13 2 3 145.25 9.88 -13 2 3 141.83 10.26 -13 2 3 155.45 10.51 -13 2 3 155.18 10.88 -13 2 2 56.92 6.11 -13 2 2 63.31 6.63 -13 2 2 60.04 6.38 -13 2 1 13.83 3.34 -13 2 1 7.95 2.77 -13 2 1 6.87 2.18 -13 2 0 113.56 8.66 -13 3 7 2.66 1.52 -13 3 7 2.44 1.45 -13 3 6 31.40 4.32 -13 3 6 22.62 3.61 -13 3 6 26.61 3.83 -13 3 5 86.60 7.36 -13 3 5 88.72 7.29 -13 3 5 89.46 7.66 -13 3 4 18.12 3.64 -13 3 4 16.26 3.01 -13 3 4 20.82 3.67 -13 3 4 19.21 3.55 -13 3 3 77.36 6.84 -13 3 3 79.39 7.06 -13 3 3 80.00 7.29 -13 3 3 80.90 7.47 -13 3 2 104.57 8.09 -13 3 2 86.52 7.09 -13 3 2 91.66 7.24 13 3 -2 80.37 6.92 -13 3 1 277.59 13.60 13 3 -1 202.06 11.04 -13 3 0 232.29 12.17 -13 4 5 3.32 1.77 -13 4 5 3.82 1.79 -13 4 5 0.94 1.54 -13 4 4 199.14 10.70 -13 4 4 202.44 10.91 -13 4 4 194.99 10.78 -13 4 3 90.65 6.87 -13 4 3 95.40 7.10 13 4 -3 74.37 6.27 -13 4 2 2.98 1.73 13 4 -2 3.28 1.70 -13 4 1 62.86 5.73 0 0 0 0.00 0.00 TITL P20-9-el9 in P2(1) REM P2(1) (#4 in standard setting) CELL 1.54184 11.278076 9.829342 11.890555 90.0000 102.6408 90.0000 ZERR 6.00 0.000198 0.000158 0.000202 0.0000 0.0017 0.0000 LATT -1 SYMM -x, y+1/2,-z SFAC C H N O UNIT 66.00 60.00 6.00 6.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 65085 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling - Detector area scaling ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.3449(3) 0.3621(3) 0.7068(3) 0.0156(6) Uani 1 1 d . . . . . C2 C 0.4249(3) 0.3374(4) 0.8209(3) 0.0219(7) Uani 1 1 d . . . . . H2 H 0.409222 0.261944 0.862591 0.026 Uiso 1 1 calc R U . . . C3 C 0.5178(3) 0.4165(4) 0.8672(3) 0.0235(7) Uani 1 1 d . . . . . H3 H 0.559691 0.396998 0.941840 0.028 Uiso 1 1 calc R U . . . C4 C 0.5601(3) 0.5360(4) 0.8072(3) 0.0188(7) Uani 1 1 d . . . . . C5 C 0.4957(3) 0.5351(3) 0.6779(3) 0.0140(6) Uani 1 1 d . . . . . H5 H 0.532994 0.459599 0.644364 0.017 Uiso 1 1 calc R U . . . C6 C 0.5241(3) 0.6619(3) 0.6137(3) 0.0139(6) Uani 1 1 d . . . . . H6A H 0.487863 0.740698 0.642122 0.017 Uiso 1 1 calc R U . . . H6B H 0.611418 0.675608 0.630253 0.017 Uiso 1 1 calc R U . . . C7 C 0.4775(3) 0.6518(3) 0.4843(3) 0.0136(6) Uani 1 1 d . . . . . H7 H 0.490195 0.739954 0.450300 0.016 Uiso 1 1 calc R U . . . C8 C 0.3419(3) 0.6179(3) 0.4502(3) 0.0127(6) Uani 1 1 d . . . . . C9 C 0.3135(3) 0.4907(3) 0.5174(2) 0.0118(6) Uani 1 1 d . . . . . H9 H 0.363763 0.418262 0.495546 0.014 Uiso 1 1 calc R U . . . C10 C 0.3565(3) 0.5015(3) 0.6511(3) 0.0137(6) Uani 1 1 d . . . . . C11 C 0.1805(3) 0.4423(3) 0.4705(3) 0.0128(6) Uani 1 1 d . . . . . H11 H 0.137315 0.444715 0.533550 0.015 Uiso 1 1 calc R U . . . C12 C 0.1063(3) 0.5208(3) 0.3682(3) 0.0140(6) Uani 1 1 d . . . . . H12A H 0.080204 0.605883 0.396337 0.017 Uiso 1 1 calc R U . . . H12B H 0.033890 0.468612 0.335803 0.017 Uiso 1 1 calc R U . . . C13 C 0.1733(3) 0.5531(3) 0.2705(3) 0.0147(6) Uani 1 1 d . . . . . C14 C 0.3084(3) 0.5761(3) 0.3246(3) 0.0125(6) Uani 1 1 d . . . . . C15 C 0.3969(3) 0.5461(3) 0.2690(3) 0.0157(6) Uani 1 1 d . . . . . H15 H 0.377349 0.539780 0.188986 0.019 Uiso 1 1 calc R U . . . C16 C 0.5233(3) 0.5228(3) 0.3302(3) 0.0146(6) Uani 1 1 d . . . . . C17 C 0.1183(3) 0.6851(3) 0.2089(3) 0.0150(6) Uani 1 1 d . . . . . H17 H 0.140402 0.761464 0.262393 0.018 Uiso 1 1 calc R U . . . C18 C 0.1551(3) 0.4335(3) 0.1848(3) 0.0182(6) Uani 1 1 d . . . . . H18A H 0.192993 0.353471 0.222869 0.027 Uiso 1 1 calc R U . . . H18B H 0.191307 0.455388 0.121120 0.027 Uiso 1 1 calc R U . . . H18C H 0.069831 0.417175 0.157102 0.027 Uiso 1 1 calc R U . . . C19 C 0.2788(3) 0.6008(3) 0.7060(3) 0.0166(6) Uani 1 1 d . . . . . H19A H 0.195669 0.596268 0.664567 0.025 Uiso 1 1 calc R U . . . H19B H 0.308645 0.691824 0.702513 0.025 Uiso 1 1 calc R U . . . H19C H 0.283944 0.575884 0.784986 0.025 Uiso 1 1 calc R U . . . C20 C -0.0209(3) 0.6874(4) 0.1623(3) 0.0186(7) Uani 1 1 d . . . . . H20 H -0.059227 0.612539 0.195720 0.022 Uiso 1 1 calc R U . . . C21 C -0.0735(3) 0.8227(4) 0.1887(3) 0.0243(8) Uani 1 1 d . . . . . H21A H -0.159748 0.825996 0.154137 0.029 Uiso 1 1 calc R U . . . H21B H -0.062848 0.834059 0.271323 0.029 Uiso 1 1 calc R U . . . C22 C -0.0339(3) 0.6652(4) 0.0330(3) 0.0217(7) Uani 1 1 d . . . . . H22A H -0.058247 0.572404 0.011804 0.026 Uiso 1 1 calc R U . . . H22B H -0.093850 0.726780 -0.010898 0.026 Uiso 1 1 calc R U . . . C23 C 0.0891(3) 0.6939(3) 0.0113(3) 0.0203(7) Uani 1 1 d . . . . . C28 C 0.6985(3) 0.5161(4) 0.8178(3) 0.0209(7) Uani 1 1 d . . . . . H28A H 0.711970 0.437560 0.774246 0.031 Uiso 1 1 calc R U . . . H28B H 0.737506 0.503326 0.897310 0.031 Uiso 1 1 calc R U . . . H28C H 0.731572 0.595063 0.788369 0.031 Uiso 1 1 calc R U . . . C29 C 0.5449(3) 0.6671(4) 0.8739(3) 0.0262(8) Uani 1 1 d . . . . . H29A H 0.575120 0.743297 0.838114 0.039 Uiso 1 1 calc R U . . . H29B H 0.589724 0.658822 0.952155 0.039 Uiso 1 1 calc R U . . . H29C H 0.460433 0.680825 0.873039 0.039 Uiso 1 1 calc R U . . . C30 C 0.2786(3) 0.7533(3) 0.4704(3) 0.0135(6) Uani 1 1 d . . . . . H30A H 0.317602 0.790569 0.543814 0.020 Uiso 1 1 calc R U . . . H30B H 0.194579 0.736131 0.469355 0.020 Uiso 1 1 calc R U . . . H30C H 0.284546 0.816801 0.410556 0.020 Uiso 1 1 calc R U . . . C31 C 0.1014(3) 0.2169(3) 0.4549(3) 0.0151(6) Uani 1 1 d . . . . . C32 C 0.1296(3) 0.0717(3) 0.4336(3) 0.0224(7) Uani 1 1 d . . . . . H32A H 0.124709 0.058271 0.352757 0.034 Uiso 1 1 calc R U . . . H32B H 0.072017 0.013511 0.458589 0.034 Uiso 1 1 calc R U . . . H32C H 0.210097 0.050204 0.475802 0.034 Uiso 1 1 calc R U . . . O1 O 0.2714(2) 0.2767(2) 0.66465(19) 0.0215(5) Uani 1 1 d . . . . . H1WA H 0.713(4) 0.462(5) 0.177(4) 0.032 Uiso 1 1 d . U . . . H1WB H 0.790(4) 0.365(5) 0.119(4) 0.032 Uiso 1 1 d . U . . . O2 O 0.55301(18) 0.5517(2) 0.44362(18) 0.0142(4) Uani 1 1 d . . . . . O3 O 0.5968(2) 0.4647(2) 0.28645(19) 0.0188(5) Uani 1 1 d . . . . . O4 O 0.18908(18) 0.3005(2) 0.43488(17) 0.0127(4) Uani 1 1 d . . . . . O5 O 0.0123(2) 0.2558(2) 0.4863(2) 0.0209(5) Uani 1 1 d . . . . . O6 O 0.17192(19) 0.7081(2) 0.10980(18) 0.0176(5) Uani 1 1 d . . . . . O7 O 0.1175(2) 0.7011(3) -0.0814(2) 0.0280(6) Uani 1 1 d . . . . . O8 O -0.0118(2) 0.9281(3) 0.1427(2) 0.0289(6) Uani 1 1 d . . . . . H8 H -0.044648 1.001234 0.149230 0.043 Uiso 1 1 calc R U . . . O1W O 0.7580(3) 0.4523(3) 0.1252(3) 0.0406(7) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0139(15) 0.0157(16) 0.0186(15) 0.0001(12) 0.0065(12) 0.0017(13) C2 0.0229(18) 0.0221(18) 0.0207(16) 0.0080(13) 0.0047(14) -0.0001(14) C3 0.0236(17) 0.030(2) 0.0149(15) 0.0043(14) 0.0011(13) 0.0021(15) C4 0.0173(15) 0.0198(18) 0.0176(15) -0.0011(13) 0.0005(12) 0.0020(13) C5 0.0127(14) 0.0119(15) 0.0170(14) -0.0032(12) 0.0024(11) 0.0014(12) C6 0.0101(14) 0.0097(14) 0.0212(15) -0.0028(12) 0.0021(12) -0.0006(12) C7 0.0129(15) 0.0067(14) 0.0220(16) 0.0003(12) 0.0057(12) 0.0002(12) C8 0.0112(14) 0.0115(15) 0.0153(15) 0.0013(11) 0.0023(12) 0.0011(12) C9 0.0108(13) 0.0092(14) 0.0150(14) -0.0006(11) 0.0022(11) 0.0014(12) C10 0.0127(14) 0.0129(15) 0.0155(14) 0.0005(11) 0.0031(12) 0.0015(12) C11 0.0125(14) 0.0075(14) 0.0189(14) -0.0022(11) 0.0044(12) 0.0004(12) C12 0.0126(13) 0.0087(15) 0.0203(14) -0.0004(11) 0.0029(12) -0.0025(12) C13 0.0141(14) 0.0124(15) 0.0165(14) -0.0011(12) 0.0007(12) -0.0014(12) C14 0.0151(15) 0.0067(14) 0.0154(14) 0.0037(11) 0.0025(12) -0.0003(12) C15 0.0195(15) 0.0122(15) 0.0152(14) 0.0023(12) 0.0035(12) 0.0034(13) C16 0.0184(15) 0.0064(14) 0.0204(15) 0.0021(12) 0.0070(12) -0.0020(12) C17 0.0149(15) 0.0136(15) 0.0159(14) 0.0004(12) 0.0025(12) -0.0015(13) C18 0.0191(15) 0.0146(16) 0.0195(15) -0.0026(12) 0.0012(12) -0.0015(13) C19 0.0158(15) 0.0170(16) 0.0175(15) -0.0003(12) 0.0047(12) 0.0003(13) C20 0.0155(15) 0.0183(16) 0.0200(15) 0.0047(12) -0.0004(12) -0.0020(13) C21 0.0174(16) 0.029(2) 0.0257(17) 0.0071(15) 0.0042(14) 0.0076(15) C22 0.0214(16) 0.0194(18) 0.0210(16) 0.0019(13) -0.0027(13) -0.0029(14) C23 0.0306(18) 0.0117(16) 0.0181(16) 0.0007(12) 0.0041(14) 0.0019(14) C28 0.0155(15) 0.0233(18) 0.0207(15) -0.0019(13) -0.0031(12) -0.0001(14) C29 0.0254(18) 0.030(2) 0.0209(16) -0.0083(15) -0.0010(13) 0.0025(16) C30 0.0132(14) 0.0096(15) 0.0167(13) 0.0005(11) 0.0008(11) 0.0009(12) C31 0.0149(15) 0.0119(15) 0.0177(14) 0.0026(12) 0.0022(12) 0.0004(13) C32 0.0175(15) 0.0106(16) 0.0406(19) -0.0006(13) 0.0093(14) -0.0033(13) O1 0.0241(12) 0.0174(12) 0.0217(11) 0.0037(9) 0.0022(9) -0.0036(10) O2 0.0118(10) 0.0113(10) 0.0200(10) 0.0011(8) 0.0044(8) 0.0023(9) O3 0.0193(11) 0.0144(12) 0.0262(12) -0.0002(9) 0.0126(10) 0.0036(9) O4 0.0130(10) 0.0073(10) 0.0185(10) -0.0003(8) 0.0046(8) -0.0021(8) O5 0.0135(11) 0.0134(11) 0.0378(13) 0.0024(10) 0.0096(10) -0.0017(9) O6 0.0186(11) 0.0167(12) 0.0174(10) 0.0029(9) 0.0035(8) -0.0009(9) O7 0.0342(14) 0.0300(14) 0.0202(12) 0.0020(10) 0.0066(10) -0.0049(12) O8 0.0340(13) 0.0189(13) 0.0358(14) 0.0061(10) 0.0122(11) 0.0092(11) O1W 0.0504(17) 0.0364(18) 0.0436(17) 0.0004(13) 0.0292(15) -0.0015(14) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C2 C1 C10 116.8(3) . . ? O1 C1 C2 119.5(3) . . ? O1 C1 C10 123.7(3) . . ? C1 C2 H2 118.2 . . ? C3 C2 C1 123.6(3) . . ? C3 C2 H2 118.2 . . ? C2 C3 H3 117.8 . . ? C2 C3 C4 124.5(3) . . ? C4 C3 H3 117.8 . . ? C3 C4 C5 109.7(3) . . ? C3 C4 C28 106.3(3) . . ? C3 C4 C29 109.0(3) . . ? C5 C4 C28 109.0(2) . . ? C29 C4 C5 115.7(3) . . ? C29 C4 C28 106.7(3) . . ? C4 C5 H5 104.9 . . ? C4 C5 C10 115.8(2) . . ? C6 C5 C4 112.7(2) . . ? C6 C5 H5 104.9 . . ? C6 C5 C10 112.3(2) . . ? C10 C5 H5 104.9 . . ? C5 C6 H6A 109.0 . . ? C5 C6 H6B 109.0 . . ? H6A C6 H6B 107.8 . . ? C7 C6 C5 112.8(2) . . ? C7 C6 H6A 109.0 . . ? C7 C6 H6B 109.0 . . ? C6 C7 H7 108.1 . . ? C6 C7 C8 112.9(2) . . ? C8 C7 H7 108.1 . . ? O2 C7 C6 106.5(2) . . ? O2 C7 H7 108.1 . . ? O2 C7 C8 112.9(2) . . ? C7 C8 C9 110.2(2) . . ? C7 C8 C30 103.8(2) . . ? C14 C8 C7 109.9(2) . . ? C14 C8 C9 104.7(2) . . ? C14 C8 C30 111.1(2) . . ? C30 C8 C9 117.1(2) . . ? C8 C9 H9 104.5 . . ? C8 C9 C10 114.6(2) . . ? C8 C9 C11 110.6(2) . . ? C10 C9 H9 104.5 . . ? C11 C9 H9 104.5 . . ? C11 C9 C10 116.5(2) . . ? C1 C10 C5 106.0(2) . . ? C1 C10 C9 110.0(2) . . ? C1 C10 C19 105.6(2) . . ? C9 C10 C5 107.2(2) . . ? C19 C10 C5 114.5(3) . . ? C19 C10 C9 113.2(2) . . ? C9 C11 H11 108.6 . . ? C12 C11 C9 116.7(2) . . ? C12 C11 H11 108.6 . . ? O4 C11 C9 106.0(2) . . ? O4 C11 H11 108.6 . . ? O4 C11 C12 108.1(2) . . ? C11 C12 H12A 108.4 . . ? C11 C12 H12B 108.4 . . ? C11 C12 C13 115.4(2) . . ? H12A C12 H12B 107.5 . . ? C13 C12 H12A 108.4 . . ? C13 C12 H12B 108.4 . . ? C14 C13 C12 108.5(2) . . ? C14 C13 C17 109.4(2) . . ? C14 C13 C18 111.5(3) . . ? C17 C13 C12 108.4(2) . . ? C18 C13 C12 108.9(3) . . ? C18 C13 C17 110.2(3) . . ? C8 C14 C13 117.7(2) . . ? C15 C14 C8 119.5(3) . . ? C15 C14 C13 122.4(3) . . ? C14 C15 H15 118.8 . . ? C14 C15 C16 122.3(3) . . ? C16 C15 H15 118.8 . . ? O2 C16 C15 117.7(3) . . ? O3 C16 C15 122.7(3) . . ? O3 C16 O2 119.0(3) . . ? C13 C17 H17 108.4 . . ? C20 C17 C13 116.8(3) . . ? C20 C17 H17 108.4 . . ? O6 C17 C13 108.6(2) . . ? O6 C17 H17 108.4 . . ? O6 C17 C20 106.1(2) . . ? C13 C18 H18A 109.5 . . ? C13 C18 H18B 109.5 . . ? C13 C18 H18C 109.5 . . ? H18A C18 H18B 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C10 C19 H19A 109.5 . . ? C10 C19 H19B 109.5 . . ? C10 C19 H19C 109.5 . . ? H19A C19 H19B 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C17 C20 H20 110.3 . . ? C21 C20 C17 110.5(3) . . ? C21 C20 H20 110.3 . . ? C21 C20 C22 112.2(3) . . ? C22 C20 C17 103.0(3) . . ? C22 C20 H20 110.3 . . ? C20 C21 H21A 110.0 . . ? C20 C21 H21B 110.0 . . ? H21A C21 H21B 108.4 . . ? O8 C21 C20 108.3(3) . . ? O8 C21 H21A 110.0 . . ? O8 C21 H21B 110.0 . . ? C20 C22 H22A 110.7 . . ? C20 C22 H22B 110.7 . . ? H22A C22 H22B 108.8 . . ? C23 C22 C20 105.0(3) . . ? C23 C22 H22A 110.7 . . ? C23 C22 H22B 110.7 . . ? O6 C23 C22 111.5(3) . . ? O7 C23 C22 127.4(3) . . ? O7 C23 O6 121.1(3) . . ? C4 C28 H28A 109.5 . . ? C4 C28 H28B 109.5 . . ? C4 C28 H28C 109.5 . . ? H28A C28 H28B 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C4 C29 H29A 109.5 . . ? C4 C29 H29B 109.5 . . ? C4 C29 H29C 109.5 . . ? H29A C29 H29B 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C8 C30 H30A 109.5 . . ? C8 C30 H30B 109.5 . . ? C8 C30 H30C 109.5 . . ? H30A C30 H30B 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? O4 C31 C32 111.2(3) . . ? O5 C31 C32 125.2(3) . . ? O5 C31 O4 123.6(3) . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? C31 C32 H32C 109.5 . . ? H32A C32 H32B 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C16 O2 C7 116.2(2) . . ? C31 O4 C11 115.6(2) . . ? C23 O6 C17 111.1(2) . . ? C21 O8 H8 109.5 . . ? H1WA O1W H1WB 116(4) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C2 1.476(5) . ? C1 C10 1.540(4) . ? C1 O1 1.209(4) . ? C2 H2 0.9300 . ? C2 C3 1.324(5) . ? C3 H3 0.9300 . ? C3 C4 1.505(5) . ? C4 C5 1.550(4) . ? C4 C28 1.550(4) . ? C4 C29 1.543(5) . ? C5 H5 0.9800 . ? C5 C6 1.532(4) . ? C5 C10 1.567(4) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C6 C7 1.517(4) . ? C7 H7 0.9800 . ? C7 C8 1.530(4) . ? C7 O2 1.452(4) . ? C8 C9 1.555(4) . ? C8 C14 1.515(4) . ? C8 C30 1.554(4) . ? C9 H9 0.9800 . ? C9 C10 1.560(4) . ? C9 C11 1.556(4) . ? C10 C19 1.548(4) . ? C11 H11 0.9800 . ? C11 C12 1.526(4) . ? C11 O4 1.466(4) . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C12 C13 1.551(4) . ? C13 C14 1.535(4) . ? C13 C17 1.551(4) . ? C13 C18 1.539(4) . ? C14 C15 1.345(4) . ? C15 H15 0.9300 . ? C15 C16 1.471(4) . ? C16 O2 1.347(4) . ? C16 O3 1.213(4) . ? C17 H17 0.9800 . ? C17 C20 1.547(4) . ? C17 O6 1.455(4) . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20 0.9800 . ? C20 C21 1.517(5) . ? C20 C22 1.528(4) . ? C21 H21A 0.9700 . ? C21 H21B 0.9700 . ? C21 O8 1.422(5) . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C22 C23 1.493(5) . ? C23 O6 1.336(4) . ? C23 O7 1.215(4) . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 C32 1.495(5) . ? C31 O4 1.346(4) . ? C31 O5 1.209(4) . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? O8 H8 0.8200 . ? O1W H1WA 0.89(5) . ? O1W H1WB 0.94(5) . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C1 C2 C3 C4 -4.6(5) . . . . ? C2 C1 C10 C5 39.7(3) . . . . ? C2 C1 C10 C9 155.3(3) . . . . ? C2 C1 C10 C19 -82.2(3) . . . . ? C2 C3 C4 C5 -10.7(5) . . . . ? C2 C3 C4 C28 -128.4(4) . . . . ? C2 C3 C4 C29 117.0(4) . . . . ? C3 C4 C5 C6 174.0(2) . . . . ? C3 C4 C5 C10 42.8(4) . . . . ? C4 C5 C6 C7 171.2(2) . . . . ? C4 C5 C10 C1 -56.6(3) . . . . ? C4 C5 C10 C9 -174.0(3) . . . . ? C4 C5 C10 C19 59.4(4) . . . . ? C5 C6 C7 C8 53.8(3) . . . . ? C5 C6 C7 O2 -70.6(3) . . . . ? C6 C5 C10 C1 172.0(2) . . . . ? C6 C5 C10 C9 54.6(3) . . . . ? C6 C5 C10 C19 -71.9(3) . . . . ? C6 C7 C8 C9 -51.5(3) . . . . ? C6 C7 C8 C14 -166.4(2) . . . . ? C6 C7 C8 C30 74.7(3) . . . . ? C6 C7 O2 C16 177.3(2) . . . . ? C7 C8 C9 C10 54.2(3) . . . . ? C7 C8 C9 C11 -171.6(2) . . . . ? C7 C8 C14 C13 -173.5(3) . . . . ? C7 C8 C14 C15 13.9(4) . . . . ? C8 C7 O2 C16 52.9(3) . . . . ? C8 C9 C10 C1 -169.8(2) . . . . ? C8 C9 C10 C5 -55.0(3) . . . . ? C8 C9 C10 C19 72.3(3) . . . . ? C8 C9 C11 C12 2.3(3) . . . . ? C8 C9 C11 O4 122.6(2) . . . . ? C8 C14 C15 C16 13.7(5) . . . . ? C9 C8 C14 C13 68.2(3) . . . . ? C9 C8 C14 C15 -104.4(3) . . . . ? C9 C11 C12 C13 44.6(4) . . . . ? C9 C11 O4 C31 142.9(2) . . . . ? C10 C1 C2 C3 -11.9(5) . . . . ? C10 C5 C6 C7 -55.9(3) . . . . ? C10 C9 C11 C12 135.5(3) . . . . ? C10 C9 C11 O4 -104.2(3) . . . . ? C11 C9 C10 C1 58.8(3) . . . . ? C11 C9 C10 C5 173.6(2) . . . . ? C11 C9 C10 C19 -59.1(4) . . . . ? C11 C12 C13 C14 -33.3(4) . . . . ? C11 C12 C13 C17 -152.0(3) . . . . ? C11 C12 C13 C18 88.2(3) . . . . ? C12 C11 O4 C31 -91.3(3) . . . . ? C12 C13 C14 C8 -23.0(4) . . . . ? C12 C13 C14 C15 149.3(3) . . . . ? C12 C13 C17 C20 -54.4(3) . . . . ? C12 C13 C17 O6 -174.2(2) . . . . ? C13 C14 C15 C16 -158.6(3) . . . . ? C13 C17 C20 C21 137.1(3) . . . . ? C13 C17 C20 C22 -103.0(3) . . . . ? C13 C17 O6 C23 112.8(3) . . . . ? C14 C8 C9 C10 172.4(2) . . . . ? C14 C8 C9 C11 -53.4(3) . . . . ? C14 C13 C17 C20 -172.5(2) . . . . ? C14 C13 C17 O6 67.7(3) . . . . ? C14 C15 C16 O2 -9.4(5) . . . . ? C14 C15 C16 O3 161.6(3) . . . . ? C15 C16 O2 C7 -24.8(4) . . . . ? C17 C13 C14 C8 95.0(3) . . . . ? C17 C13 C14 C15 -92.6(3) . . . . ? C17 C20 C21 O8 55.3(3) . . . . ? C17 C20 C22 C23 -16.4(4) . . . . ? C18 C13 C14 C8 -142.9(3) . . . . ? C18 C13 C14 C15 29.5(4) . . . . ? C18 C13 C17 C20 64.6(3) . . . . ? C18 C13 C17 O6 -55.2(3) . . . . ? C20 C17 O6 C23 -13.5(3) . . . . ? C20 C22 C23 O6 9.4(4) . . . . ? C20 C22 C23 O7 -172.5(3) . . . . ? C21 C20 C22 C23 102.4(3) . . . . ? C22 C20 C21 O8 -58.9(4) . . . . ? C22 C23 O6 C17 2.6(4) . . . . ? C28 C4 C5 C6 -70.0(3) . . . . ? C28 C4 C5 C10 158.9(3) . . . . ? C29 C4 C5 C6 50.2(4) . . . . ? C29 C4 C5 C10 -81.0(4) . . . . ? C30 C8 C9 C10 -64.0(3) . . . . ? C30 C8 C9 C11 70.2(3) . . . . ? C30 C8 C14 C13 -59.2(3) . . . . ? C30 C8 C14 C15 128.2(3) . . . . ? C32 C31 O4 C11 -170.7(3) . . . . ? O1 C1 C2 C3 171.1(3) . . . . ? O1 C1 C10 C5 -143.5(3) . . . . ? O1 C1 C10 C9 -27.9(4) . . . . ? O1 C1 C10 C19 94.6(3) . . . . ? O2 C7 C8 C9 69.3(3) . . . . ? O2 C7 C8 C14 -45.6(3) . . . . ? O2 C7 C8 C30 -164.5(2) . . . . ? O3 C16 O2 C7 163.8(3) . . . . ? O4 C11 C12 C13 -74.6(3) . . . . ? O5 C31 O4 C11 9.1(4) . . . . ? O6 C17 C20 C21 -101.8(3) . . . . ? O6 C17 C20 C22 18.1(3) . . . . ? O7 C23 O6 C17 -175.6(3) . . . . ?